SCHEMBL17801038

SCHEMBL17801038

CN(C)Cc1nnc(-c2ccc3c(c2)c(-c2ccc(C#N)cc2)nn3C2CCCCO2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 1/20 0.35
FASN P49327 2/20 0.33
PLK1 P53350 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PRKDC P78527 1/20 0.33
KDM1A O60341 5/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MERTK Q12866 2/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
EGLN2 Q96KS0 2/20 0.32
KMT2A Q03164 1/20 0.32
ATR Q13535 2/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17801094 0.84 PLK1 (0.35) PLK1TLR9TLR8TLR7RXRA
SCHEMBL5374854 0.80 KDM1A (0.40) CMKLR1PRKDCKDM1ARXRARXRB
SCHEMBL17801026 0.77 USP30 (0.37) CMKLR1RXRARXRBRXRG
SCHEMBL5378280 0.76 RXRA (0.36) CMKLR1PRKDCKDM1ARXRARXRB
SCHEMBL5373251 0.76 CMKLR1 (0.38) CMKLR1PRKDCRXRARXRBRXRG
SCHEMBL5374037 0.76 KDM1A (0.37) CMKLR1PRKDCKDM1ARXRARXRB
SCHEMBL5373390 0.76 CSNK1A1 (0.38) CMKLR1PRKDCKDM1ARXRARXRB
SCHEMBL5372775 0.76 CMKLR1 (0.39) CMKLR1PRKDCKDM1ARXRARXRB
SCHEMBL5372768 0.76 CMKLR1 (0.42) CMKLR1PRKDCKDM1ARXRARXRB
SCHEMBL5379711 0.76 PRKDC (0.40) CMKLR1PRKDCKDM1AMERTKAXL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed